Ethyl 4-[(8-hydroxyquinolin-5-yl)methyl]piperazine-1-carboxylate

HCID 1090305

기본 정보

표준 SMILES
CCOC(=O)N1CCN(Cc2ccc(O)c3ncccc23)CC1
InChIKey
GCFVBBMPZROJOD-UHFFFAOYSA-N
분자식
C17H21N3O3
평균 분자량
315.37 g/mol
단동위원소 질량
315.15829154

이름 및 식별자

우선 이름
Ethyl 4-[(8-hydroxyquinolin-5-yl)methyl]piperazine-1-carboxylate
IUPAC
ethyl 4-[(8-hydroxyquinolin-5-yl)methyl]piperazine-1-carboxylate

이름 및 동의어

MLS000715648SMR000277165BAS 07529517SCHEMBL113821CHEMBL1505060BDBM34860cid_1090305GCFVBBMPZROJOD-UHFFFAOYSA-NHMS2627N23ethyl 4-[(8-hydroxyquinolin-5-yl)methyl]piperazine-1-carboxylateAKOS002307685ST50325350
이름 더 보기
SR-01000364698SR-01000364698-15-(4-ethoxycarbonylpiperazinomethy)-8-hydroxyquinolineethyl 4-[(8-hydroxy-5-quinolyl)methyl]piperazinecarboxylateethyl 4-[(8-hydroxy-5-quinolyl)methyl]piperazine-1-carboxylateethyl 4-(8-hydroxyquinolin-5-ylmethyl)-1-piperazine carboxylateethyl 4-[(8-oxidanylquinolin-5-yl)methyl]piperazine-1-carboxylate4-[(8-hydroxy-5-quinolinyl)methyl]-1-piperazinecarboxylic acid ethyl ester

데이터베이스 식별자

PubChem CID
1090305
ChEMBL
CHEMBL1505060

물성

구조 계산 물성

XLogP
1.9
극성 표면적
65.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
4
무거운 원자 수
23

실험 및 물리화학적 성질

Solubility34.3 [ug/mL] (The mean of the results at pH 7.4)

관련 반응

4건

화합물 노트

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